2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline

C14H18N2OS — CID 116727349

IUPAC2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline
SMILESCCOC(CC)c1nc(-c2ccccc2N)cs1
InChIInChI=1S/C14H18N2OS/c1-3-13(17-4-2)14-16-12(9-18-14)10-7-5-6-8-11(10)15/h5-9,13H,3-4,15H2,1-2H3
InChIKeyTYSJKVIKXUVOHN-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.88
Rot. Bonds5

About 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline

2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline (PubChem CID 116727349) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline
PubChem CID116727349
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline
SMILESCCOC(CC)c1nc(-c2ccccc2N)cs1
InChIInChI=1S/C14H18N2OS/c1-3-13(17-4-2)14-16-12(9-18-14)10-7-5-6-8-11(10)15/h5-9,13H,3-4,15H2,1-2H3
InChIKeyTYSJKVIKXUVOHN-UHFFFAOYSA-N
XLogP3.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734447
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727809
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
2-[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]aniline
CID 79197472
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
CID 116734555
2-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331131

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline (CID 116727349) is 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline is CCOC(CC)c1nc(-c2ccccc2N)cs1.
What is the InChIKey of 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is TYSJKVIKXUVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-13(17-4-2)14-16-12(9-18-14)10-7-5-6-8-11(10)15/h5-9,13H,3-4,15H2,1-2H3.
What are the key properties of 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline?
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 262.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 116727349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).